SCHEMBL9037112

SCHEMBL9037112

N#Cc1cnc2ccccn2c1=N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.46
RAB9A P51151 3/20 0.46
NPSR1 Q6W5P4 3/20 0.44
KDM4E B2RXH2 7/20 0.41
NPC1 O15118 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
FLT3 P36888 2/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
KMT2A Q03164 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GLA P06280 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9597156 0.81 KDM4E (0.49) IRAK4RAB9AKDM4ENPC1ALDH1A1
SCHEMBL9037089 0.78 GABRG2 (0.56) RAB9ANPSR1KDM4ENPC1RXFP1
SCHEMBL9037416 0.75 CYP1A2 (0.45) RAB9ANPSR1KDM4ENPC1RXFP1
SCHEMBL2016621 0.75 NPSR1 (0.46) IRAK4RAB9ANPSR1KDM4ENPC1
SCHEMBL9595441 0.74 RXFP1 (0.41) RAB9ANPSR1KDM4ENPC1RXFP1
SCHEMBL9035966 0.74 POLB (0.43) IRAK4RAB9ANPSR1KDM4ENPC1
Hydrochloric Acid SCHEMBL30318663 0.74 NPSR1 (0.45) IRAK4RAB9ANPSR1KDM4ENPC1
SCHEMBL9038833 0.73 KDM4E (0.45) RAB9ANPSR1KDM4ENPC1FLT3
SCHEMBL9600108 0.73 RAB9A (0.40) RAB9AKDM4EALDH1A1HPGDCASP1
SCHEMBL3313454 0.69 MIF (0.53) IRAK4RAB9ANPSR1KDM4ENPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2289569-A None JP disclosed
EP-0385634-B1 Process for producing pyrido[1,2-a] pyrimidine derivative WAKO PURE CHEM IND LTD (JP) 1996-04-24 EP disclosed
WO-1993016076-A1 3-(1H^_-TETRAZOL-5-YL)-4H^_-PYRIDO[1,2-A^_]PYRIMIDINE-4-ONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND THE PREPARATION THEREOF CHINOIN GYÓGYSZER- ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT. (HU) 1993-08-19 WO disclosed
WO-1993016070-A1 3-(PYRIDYLAMINO)-2-(1H^_-TETRAZOL-5-YL)-ACRYLNITRILES AND A PROCESS FOR THE PREPARATION THEREOF CHINOIN GYÓGYSZER- ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT. (HU) 1993-08-19 WO disclosed
US-5081243-A Process for producing 3-tetrazolyl pyrido[1,2-a]pyrimidine derivatives WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-14 US disclosed
JP-H02289569-A NEW PRODUCTION OF PYRIDO(1,2-A)PYRIMIDINE DERIVATIVE WAKO PURE CHEM IND LTD 1990-11-29 JP disclosed
EP-0385634-A2 Process for producing pyrido[1,2-a] pyrimidine derivative WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1990-09-05 EP disclosed